Geometry & MOs

Info

ID:	181721
PubChem CID:	76782313
Reduced:	SO2N3C15H19 (1)
Stoich.:	AB2C3D15E19 (1)
Weight, g/mol:	248.152478
ΔH_f, kcal/mol:	-37.97
Dipole, Da:	5.89
IP(EA), eV:	-8.75(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,5-dimethylpiperazin-1-yl)-3-methoxybenzaldehyde

Drug info:

PubChemData

Smile

CN(C)CCN(C)C1=CC=CC=C1C=C2C(=O)NC(=O)S2

DOS

IR

Vibrations